[1]benzofuro[5,6-f][1,3]benzothiazole

C13H7NOS — CID 131855546

IUPAC[1]benzofuro[5,6-f][1,3]benzothiazole
SMILESc1cc2cc3cc4ncsc4cc3cc2o1
InChIInChI=1S/C13H7NOS/c1-2-15-12-5-10-6-13-11(14-7-16-13)4-9(10)3-8(1)12/h1-7H
InChIKeyKXFIVZMGPGGNAC-UHFFFAOYSA-N
MW225.27 g/mol
LogP4.20
Rot. Bonds

About [1]benzofuro[5,6-f][1,3]benzothiazole

[1]benzofuro[5,6-f][1,3]benzothiazole (PubChem CID 131855546) has the molecular formula C13H7NOS and a molecular weight of 225.27 g/mol. Its IUPAC name is [1]benzofuro[5,6-f][1,3]benzothiazole.

Molecular Properties

Compound Name[1]benzofuro[5,6-f][1,3]benzothiazole
PubChem CID131855546
Molecular FormulaC13H7NOS
Molecular Weight225.27 g/mol
Exact Mass225.02
IUPAC Name[1]benzofuro[5,6-f][1,3]benzothiazole
SMILESc1cc2cc3cc4ncsc4cc3cc2o1
InChIInChI=1S/C13H7NOS/c1-2-15-12-5-10-6-13-11(14-7-16-13)4-9(10)3-8(1)12/h1-7H
InChIKeyKXFIVZMGPGGNAC-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1]benzofuro[5,6-f][1,3]benzothiazole with MolForge

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Related Compounds

6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
[1,3]thiazolo[5,4-g]quinoxaline
CID 45077795
furo[3,2-g][1,3]benzothiazole
CID 45077048
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole
CID 19090345
2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 101175116
6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 15445612
1,3-benzothiazole-5-carbonitrile
CID 10702104
1,3-benzothiazol-5-ol
CID 3596506
1,3-benzothiazole-5-thiol
CID 14944486
1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;tetrakis(2-methylpropane)
CID 157052254
azane;5-methyl-1,3-benzothiazole
CID 174920703

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[5,6-f][1,3]benzothiazole?
The IUPAC name of [1]benzofuro[5,6-f][1,3]benzothiazole (CID 131855546) is [1]benzofuro[5,6-f][1,3]benzothiazole.
What is the SMILES notation for [1]benzofuro[5,6-f][1,3]benzothiazole?
The canonical SMILES for [1]benzofuro[5,6-f][1,3]benzothiazole is c1cc2cc3cc4ncsc4cc3cc2o1.
What is the InChIKey of [1]benzofuro[5,6-f][1,3]benzothiazole?
The InChIKey is KXFIVZMGPGGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NOS/c1-2-15-12-5-10-6-13-11(14-7-16-13)4-9(10)3-8(1)12/h1-7H.
What are the key properties of [1]benzofuro[5,6-f][1,3]benzothiazole?
[1]benzofuro[5,6-f][1,3]benzothiazole has a molecular weight of 225.27 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[5,6-f][1,3]benzothiazole is sourced from PubChem (CID 131855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).